Azedeh Nazemi

Azedeh Nazemi (Azi) is a fourth year graduate student in Dr. Cundari's research group. Currently, she is collaborating with Reata Pharmaceuticals working on drug design and protein modeling. She is also collaborating with an experimental research group at MIT, working on modeling of mechanism for C-H activation of methane using bimetallic complexes. During her PhD, she has studied the PCET mechanism for a series of 3d- and 4d-transition metals triazolyl complexes. Also, she explored the importance of pKa in a hydrogen transfer pathway for hydroaminoalkylation process. Moreover, her two first projects focused on mimicking the active species of the EBDH enzyme containing Mo-oxo substrate and manipulating the ligands to find the most efficient Mo-oxo catalysts for activation of the inert C-H bonds of light alkanes.

Azi received her Master of Science in physical chemistry at Iran University of Science and Technology, Tehran. (Sept 2010-Nov 2012)

Publications

• Computational Analysis of Proton-Coupled Electron Transfer in Hydrotris(triazolyl)borate Mid-Late 3d, 4d-Transition Metals Complexes” A. Nazemi, T. R. Cundari Organometallics, 2019, Submitted
• Importance of Nitrogen-Hydrogen Bond pKa in the Catalytic Coupling of Alkenes and Amines by Amidate Tantalum Complexes: A Computational Study” A. Nazemi, T. R. Cundari Journal of Physical Chemistry A, 2019, Submitted
• DFT Study of Substituent Effects in the Hydroxylation of Methane and Toluene Mediated by an Ethylbenzene Dehydrogenase Active Site Model J. O. C. Jimenez-Halla, A. Nazemi, T. R. Cundari, Organomet. Chem. (special issue “Modern Computational Organometallic Chemistry”), 2018, 864, 44-49. DOI: 10.1016/j.jorganchem.2018.01.007
• Control of C-H bond activation by Mo-oxo complexes: pKa or bond dissociation free energy (BDFE)?Nazemi, A.; Cundari, T. R.Inorganic Chemistry , 2017, 56,12319-12327. DOI: 10.1021/acs.inorgchem.7b01738
• Controling the anodizing conditions in preparation of a nanoporous anodic aluminium oxide template Nazemi, A.;Seyed Sadjadi, S. A.Materials Science-Poland , 2014, 32, 565-570. DOI: 10.2478/s13536-014-0220-2
• Aluminium oxidenanowires synthesis from high purity aluminium films via two-step anodization Nazemi, A.;Najafian, A.; Seyed Sadjadi, S. A.Superlattices and Microstructures , 2015, 81, 1-6. DOI: 10.1016/j.spmi.2015.01.013

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